4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide

C20H29N5O — CID 95128874

IUPAC4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCCc1nccn1C[C@H](C)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H29N5O/c1-3-19-21-11-14-25(19)15-16(2)22-18-9-12-24(13-10-18)20(26)23-17-7-5-4-6-8-17/h4-8,11,14,16,18,22H,3,9-10,12-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyZAXXEHXSCMZAMP-INIZCTEOSA-N
MW355.49 g/mol
LogP3.12
Rot. Bonds6

About 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide

4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 95128874) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID95128874
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCCc1nccn1C[C@H](C)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H29N5O/c1-3-19-21-11-14-25(19)15-16(2)22-18-9-12-24(13-10-18)20(26)23-17-7-5-4-6-8-17/h4-8,11,14,16,18,22H,3,9-10,12-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyZAXXEHXSCMZAMP-INIZCTEOSA-N
XLogP3.12
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
CID 77094686
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 126804910
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700441

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 95128874) is 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide is CCc1nccn1C[C@H](C)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZAXXEHXSCMZAMP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-19-21-11-14-25(19)15-16(2)22-18-9-12-24(13-10-18)20(26)23-17-7-5-4-6-8-17/h4-8,11,14,16,18,22H,3,9-10,12-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95128874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).